Imagabalin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Imagabalin
Accession Number
DB12105
Type
Small Molecule
Groups
Investigational
Description

Imagabalin has been investigated in Generalized Anxiety Disorder.

Structure
Thumb
Synonyms
Not Available
External IDs
PD 0332334 / PD-0332334 / PF-00195889
Product Ingredients
IngredientUNIICASInChI Key
Imagabalin HydrochlorideMJ3F8ZA7Q1610300-00-0CFMZXQJDAJXNHS-WLYNEOFISA-N
Categories
UNII
NDG6931B7H
CAS number
610300-07-7
Weight
Average: 173.256
Monoisotopic: 173.141578856
Chemical Formula
C9H19NO2
InChI Key
JXEHXYFSIOYTAH-SFYZADRCSA-N
InChI
InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
IUPAC Name
(3S,5R)-3-amino-5-methyloctanoic acid
SMILES
CCC[C@@H](C)C[C@H](N)CC(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Imagabalin is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Imagabalin.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Imagabalin.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Imagabalin is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Imagabalin.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of adverse effects can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Imagabalin.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Imagabalin.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Imagabalin.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Imagabalin.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Imagabalin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10236037
PubChem Substance
347828406
ChemSpider
8411525
ChEMBL
CHEMBL2103836
Wikipedia
Imagabalin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailablePharmacokinetics / Renal Dialysis1
1CompletedDiagnosticGeneralized Anxiety Disorder (GAD)1
1TerminatedNot AvailableGeneralized Anxiety Disorder (GAD)2
1TerminatedNot AvailableImpaired Renal Function / Pharmacokinetics1
1WithdrawnNot AvailableGeneralized Anxiety Disease1
2CompletedTreatmentGeneralized Anxiety Disorder (GAD)1
3CompletedTreatmentGeneralized Anxiety Disorder (GAD)1
3TerminatedTreatmentAnxiety Disorders1
3TerminatedTreatmentGeneralized Anxiety Disorder (GAD)4
3WithdrawnTreatmentGeneralized Anxiety Disorder (GAD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.01 mg/mLALOGPS
logP-0.48ALOGPS
logP-0.61ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)4.53ChemAxon
pKa (Strongest Basic)10.54ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity48 m3·mol-1ChemAxon
Polarizability20.09 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Medium-chain fatty acids / Branched fatty acids / Amino fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
show 1 more
Substituents
Beta amino acid or derivatives / Medium-chain fatty acid / Amino fatty acid / Branched fatty acid / Fatty acyl / Fatty acid / Amino acid / Carboxylic acid / Monocarboxylic acid or derivatives / Amine
show 11 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:21 / Updated on September 02, 2019 22:01